1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol

C10H16O — CID 89112583

IUPAC1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol
SMILESOC1C=CCC2CCCCC12
InChIInChI=1S/C10H16O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,7-11H,1-2,4-6H2
InChIKeyANWGKODGMICTRO-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.11
Rot. Bonds

About 1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol

1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol (PubChem CID 89112583) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol.

Molecular Properties

Compound Name1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol
PubChem CID89112583
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol
SMILESOC1C=CCC2CCCCC12
InChIInChI=1S/C10H16O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,7-11H,1-2,4-6H2
InChIKeyANWGKODGMICTRO-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol?
The IUPAC name of 1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol (CID 89112583) is 1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol.
What is the SMILES notation for 1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol?
The canonical SMILES for 1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol is OC1C=CCC2CCCCC12.
What is the InChIKey of 1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol?
The InChIKey is ANWGKODGMICTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,7-11H,1-2,4-6H2.
What are the key properties of 1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol?
1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-ol is sourced from PubChem (CID 89112583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).